KEGG   COMPOUND: C00109Help
Entry
C00109                      Compound                               

Name
2-Oxobutanoate;
2-Ketobutyric acid;
2-Oxobutyric acid;
2-Oxobutyrate;
2-Oxobutanoic acid;
alpha-Ketobutyric acid;
alpha-Ketobutyrate
Formula
C4H6O3
Exact mass
102.0317
Mol weight
102.0886
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00260  Glycine, serine and threonine metabolism
map00270  Cysteine and methionine metabolism
map00290  Valine, leucine and isoleucine biosynthesis
map00640  Propanoate metabolism
map00660  C5-Branched dibasic acid metabolism
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
Module
M00019  Valine/isoleucine biosynthesis, pyruvate => valine / 2-oxobutanoate => isoleucine
M00535  Isoleucine biosynthesis, pyruvate => 2-oxobutanoate
M00570  Isoleucine biosynthesis, threonine => 2-oxobutanoate => isoleucine
Enzyme
1.1.1.27        1.1.1.85        1.2.3.-         1.2.4.4         
1.2.7.1         2.2.1.6         2.3.1.54        2.3.3.6         
2.5.1.48        2.6.1.42        2.6.1.44        3.5.99.7        
3.5.99.10       4.1.1.112       4.3.1.19        4.4.1.1         
4.4.1.2         4.4.1.11
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   2-Oxocarboxylic acids
    C00109  2-Oxobutanoate
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0106 Oxo fatty acids
    C00109  2-Oxobutanoic acid
BRITE hierarchy
Other DBs
CAS: 600-18-0
PubChem: 3409
ChEBI: 16763 30831
ChEMBL: CHEMBL171246
LIPIDMAPS: LMFA01060002
LipidBank: DFA0386
KNApSAcK: C00019675
PDB-CCD: 2KT[PDBj]
3DMET: B00028
NIKKAJI: J2.726J
LinkDB All DBs
KCF data Show

ATOM        7
            1   C5a C    22.1561  -16.5428
            2   C6a C    23.3734  -15.8406
            3   C1b C    20.9451  -15.8406
            4   O5a O    22.2196  -18.0740
            5   O6a O    24.5844  -16.5428
            6   O6a O    23.3671  -14.5065
            7   C1a C    19.7342  -16.5428
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1

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